SCHEMBL11434047

SCHEMBL11434047

O=C(Nc1ccc2cc(S(=O)(=O)O)c(O)cc2c1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CD40 P25942 2/20 0.54
▸ CD40LG P29965 2/20 0.54
▸ RAB9A P51151 7/20 0.53
▸ MEN1 O00255 6/20 0.53
▸ KMT2A Q03164 6/20 0.53
▸ NPC1 O15118 4/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ MAPT P10636 5/20 0.51
▸ ATM Q13315 1/20 0.50
▸ CASP3 P42574 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ CASP2 P42575 1/20 0.49
▸ CASP7 P55210 1/20 0.49
▸ CASP6 P55212 1/20 0.49
▸ CASP8 Q14790 1/20 0.49
▸ MITF O75030 2/20 0.49
▸ POLB P06746 2/20 0.49
▸ HTT P42858 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11431261 0.88 KMT2A (0.68) RAB9AMEN1KMT2ANPC1ALDH1A1
SCHEMBL14418594 0.86 ATM (0.60) CD40CD40LGRAB9AMEN1KMT2A
SCHEMBL11351056 0.84 TIMP3 (0.52) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL10907826 0.84 ENPP2 (0.51) RAB9AMEN1KMT2ANPC1CASP6
SCHEMBL11422942 0.84 CD40 (0.57) CD40CD40LGRAB9AMEN1KMT2A
SCHEMBL11432085 0.84 MEN1 (0.55) RAB9AMEN1KMT2ANPC1ALDH1A1
SCHEMBL11426296 0.84 MAPT (0.55) RAB9AMEN1KMT2ANPC1ALDH1A1
SCHEMBL11442544 0.83 CASP6 (0.63) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL11208714 0.83 CASP6 (0.60) CD40CD40LGRAB9AMEN1KMT2A
SCHEMBL11433801 0.83 CD40 (0.61) CD40CD40LGRAB9AMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4216166-A Nitro precursors to amine precursors to ureide inhibitors of connective tissue destruction AMERICAN CYANAMID COMPANY (US) 1980-08-05 — — US disclosed
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